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Hydrogen is regarded as an attractive alternative energy carrier due to its high gravimetric energy density and only water production upon combustion. However, due to its low volumetric energy density, there are still some challenges in practical hydrogen storage and transportation. In the past decade, using chemical bonds of liquid organic molecules as hydrogen carriers to generate hydrogen in situ provided a feasible method to potentially solve this problem. Research efforts on liquid organic hydrogen carriers (LOHCs) seek practical carrier systems and advanced catalytic materials that have the potential to reduce costs, increase reaction rate, and provide a more efficient catalytic hydrogen generation/storage process. In this work, we used methanol as a hydrogen carrier to release hydrogen in situ with the single-site Pt/CeO catalyst. Moreover, in this reaction, compared with traditional nanoparticle catalysts, the single site catalyst displays excellent hydrogen generation efficiency, 40 times higher than 2.5 nm Pt/CeO sample, and 800 times higher compared to 7.0 nm Pt/CeO sample. This in-depth study highlights the benefits of single-site catalysts and paves the way for further rational design of highly efficient catalysts for sustainable energy storage applications.
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http://dx.doi.org/10.1021/jacs.9b09431 | DOI Listing |
Org Lett
September 2025
Department of Chemistry, Indian Institute of Techology Bombay, Powai, Mumbai 400076, India.
The direct α-α coupling of 3-pyrrolyl boron dipyrromethenes (BODIPYs) affords helical near-infrared (NIR)-active dimers in one step via a radical Pd-catalyzed process. X-ray analysis reveals Z-type helical packing stabilized by π-π stacking and hydrogen-bonding interactions. These dimers showed pronounced bathochromic absorption shifts compared to monomers and solvent-dependent charge-transfer bands up to 905 nm with fluorescence quenching.
View Article and Find Full Text PDFNano Lett
September 2025
School of Chemistry and Materials Science, Hunan Agricultural University, Changsha 410128, China.
Passivating detrimental defects is essential for improving perovskite solar cells (PSCs) performance. While hydrogen interstitials are often considered harmful, their role in defect passivation remains unclear. Using nonadiabatic molecular dynamics, we uncover a self-passivation mechanism between hydrogen (H) and bromine (Br) interstitials in all-inorganic CsPbBr perovskites.
View Article and Find Full Text PDFPhys Chem Chem Phys
September 2025
Key Laboratory for Photonic and Electronic Bandgap Materials, Ministry of Education, School of Physics and Electronic Engineering, Harbin Normal University, Harbin 150025, China.
Transition metal dichalcogenides (TMDs) have been extensively studied as efficient photocatalysts for water splitting. However, the utilization efficiency of photogenerated carriers remains a major limitation for their practical applications. An effective approach to address this issue is the construction of Z-scheme heterostructures.
View Article and Find Full Text PDFF1000Res
September 2025
Institute of Food and Biotechnology, Can Tho University, Can Tho City, Vietnam.
Background: has been extensively studied for its bioactive components and medicinal properties. This study was carried out to evaluate the fermentation ability of 2.1 yeast to determine suitable fermentation conditions.
View Article and Find Full Text PDFJ Comput Chem
September 2025
Wilhelm-Ostwald-Institut für Physikalische und Theoretische Chemie, Leipzig University, Leipzig, Germany.
We investigated primary and secondary geometric isotope effects (H, D, T) on charge-inverted hydrogen bonds (CIHB) and dihydrogen bonds (DHB) using nuclear-electronic orbital density functional theory (NEO-DFT). The dianionic but electrophilic boron cluster [BH] served as a bonding partner, exhibiting a negatively polarized hydrogen atom in the BH bond. CIHB systems included interactions with Lewis acids (AlH, BH, GaH) and carbenes (CF, CCl, CBr), while DHBs were analyzed with NH, HF, HCl, and HBr.
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